SCHEMBL4021743

SCHEMBL4021743

Fc1ccc(Oc2nc3[nH]nc(-c4ccccc4Cl)c3cc2CN2CCOCC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.40
EGFR P00533 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP2A13 Q16696 3/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MOK Q9UQ07 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC2A1 P11166 1/20 0.37
SCN9A Q15858 1/20 0.36
MET P08581 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
CASP3 P42574 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4012736 0.93 BRD4 (0.38) BRD4EGFRMAPK14DRD2ALDH1A1
SCHEMBL4020089 0.84 SLC6A2 (0.45) KCNH2MAPK14SLC6A4
SCHEMBL4019146 0.83 TRPA1 (0.41) MAPK14
SCHEMBL13769733 0.80 MAPK14 (0.40) BRD4MAPK14CYP2A13ALDH1A1KDM4E
SCHEMBL4015213 0.80 MAPK14 (0.45) MAPK14SCN9ADGAT2
SCHEMBL4014032 0.80 TRPA1 (0.45) EGFRMAPK14SCN9ACDK1CDK2
SCHEMBL5097216 0.80 MAPK14 (0.42) MAPK14SCN9A
SCHEMBL4020081 0.79 TRPA1 (0.42) MAPK14
SCHEMBL4015352 0.79 TRPA1 (0.41) MAPK14SCN9A
SCHEMBL13764807 0.78 MAPK14 (0.39) MAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP claimed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US claimed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO claimed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 BRD4 1593/4885EGFR 2944/4885KCNH2 4656/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.